4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide

C24H31N7O2S — CID 70667909

IUPAC4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCCCOc1nc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc(N)c1N
InChIInChI=1S/C24H31N7O2S/c1-2-11-33-23-21(26)18(25)12-20(30-23)22(32)28-13-16-6-9-31(10-7-16)15-17-14-29-24(34-17)19-5-3-4-8-27-19/h3-5,8,12,14,16H,2,6-7,9-11,13,15,26H2,1H3,(H2,25,30)(H,28,32)
InChIKeyKFNMWUQIEZIATP-UHFFFAOYSA-N
MW481.63 g/mol
LogP3.20
Rot. Bonds9

About 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide

4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 70667909) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID70667909
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Name4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCCCOc1nc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc(N)c1N
InChIInChI=1S/C24H31N7O2S/c1-2-11-33-23-21(26)18(25)12-20(30-23)22(32)28-13-16-6-9-31(10-7-16)15-17-14-29-24(34-17)19-5-3-4-8-27-19/h3-5,8,12,14,16H,2,6-7,9-11,13,15,26H2,1H3,(H2,25,30)(H,28,32)
InChIKeyKFNMWUQIEZIATP-UHFFFAOYSA-N
XLogP3.20
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

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-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-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-(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
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
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-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 66989148
chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
CID 159437389
[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride
CID 66989375
4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 86659057
methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
CID 66989505

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 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) is 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is CCCOc1nc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc(N)c1N.
What is the InChIKey of 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is KFNMWUQIEZIATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-2-11-33-23-21(26)18(25)12-20(30-23)22(32)28-13-16-6-9-31(10-7-16)15-17-14-29-24(34-17)19-5-3-4-8-27-19/h3-5,8,12,14,16H,2,6-7,9-11,13,15,26H2,1H3,(H2,25,30)(H,28,32).
What are the key properties of 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 481.63 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 70667909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).