4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide

C25H30F2N6O2S — CID 70667999

IUPAC4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1nc(C(=O)NCC2CCN(Cc3cnc(-c4c(F)cccc4F)s3)CC2)cc(N)c1N
InChIInChI=1S/C25H30F2N6O2S/c1-14(2)35-24-22(29)19(28)10-20(32-24)23(34)30-11-15-6-8-33(9-7-15)13-16-12-31-25(36-16)21-17(26)4-3-5-18(21)27/h3-5,10,12,14-15H,6-9,11,13,29H2,1-2H3,(H2,28,32)(H,30,34)
InChIKeyNKZDZUUNLLQGIM-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.08
Rot. Bonds8

About 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide

4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide (PubChem CID 70667999) has the molecular formula C25H30F2N6O2S and a molecular weight of 516.62 g/mol. Its IUPAC name is 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide.

Molecular Properties

Compound Name4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide
PubChem CID70667999
Molecular FormulaC25H30F2N6O2S
Molecular Weight516.62 g/mol
Exact Mass516.21
IUPAC Name4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1nc(C(=O)NCC2CCN(Cc3cnc(-c4c(F)cccc4F)s3)CC2)cc(N)c1N
InChIInChI=1S/C25H30F2N6O2S/c1-14(2)35-24-22(29)19(28)10-20(32-24)23(34)30-11-15-6-8-33(9-7-15)13-16-12-31-25(36-16)21-17(26)4-3-5-18(21)27/h3-5,10,12,14-15H,6-9,11,13,29H2,1-2H3,(H2,28,32)(H,30,34)
InChIKeyNKZDZUUNLLQGIM-UHFFFAOYSA-N
XLogP4.08
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide with MolForge

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Related Compounds

4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 70667909
4-amino-5-cyano-6-(1-hydroxypropan-2-yloxy)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 66989717
4-amino-6-(3-aminopropylamino)-5-chloro-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503920
4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503935
4-amino-5-cyano-6-[[(2S)-1-hydroxybutan-2-yl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58504052
4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58504125
4-amino-5-cyano-6-(3-hydroxyazetidin-1-yl)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58504107
1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 70876621
formic acid;N-[[1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 154913189
4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide?
The IUPAC name of 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide (CID 70667999) is 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide.
What is the SMILES notation for 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide?
The canonical SMILES for 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide is CC(C)Oc1nc(C(=O)NCC2CCN(Cc3cnc(-c4c(F)cccc4F)s3)CC2)cc(N)c1N.
What is the InChIKey of 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide?
The InChIKey is NKZDZUUNLLQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O2S/c1-14(2)35-24-22(29)19(28)10-20(32-24)23(34)30-11-15-6-8-33(9-7-15)13-16-12-31-25(36-16)21-17(26)4-3-5-18(21)27/h3-5,10,12,14-15H,6-9,11,13,29H2,1-2H3,(H2,28,32)(H,30,34).
What are the key properties of 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide?
4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-N-[[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-yloxypyridine-2-carboxamide is sourced from PubChem (CID 70667999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).