4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

C23H39N5O2 — CID 66728446

IUPAC4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(Nc2cc(N3CCC(C(C)(C)O)CC3)ncc2N)CC1
InChIInChI=1S/C23H39N5O2/c1-15(2)26-22(29)16-5-7-18(8-6-16)27-20-13-21(25-14-19(20)24)28-11-9-17(10-12-28)23(3,4)30/h13-18,30H,5-12,24H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyPDWKJZLLZLEYJK-UHFFFAOYSA-N
MW417.60 g/mol
LogP3.15
Rot. Bonds6

About 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66728446) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66728446
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(Nc2cc(N3CCC(C(C)(C)O)CC3)ncc2N)CC1
InChIInChI=1S/C23H39N5O2/c1-15(2)26-22(29)16-5-7-18(8-6-16)27-20-13-21(25-14-19(20)24)28-11-9-17(10-12-28)23(3,4)30/h13-18,30H,5-12,24H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyPDWKJZLLZLEYJK-UHFFFAOYSA-N
XLogP3.15
TPSA103.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-methylsulfonylpiperazin-1-yl)-5-nitro-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728470
4-[2-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728760
4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728483
1-(3,5-dichloro-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992706
4-[[2-[(2-hydroxy-2-methylpropyl)amino]-5-nitro-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728733
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53146285
methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate
CID 66728866
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
N-propan-2-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17451047

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 66728446) is 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCC(Nc2cc(N3CCC(C(C)(C)O)CC3)ncc2N)CC1.
What is the InChIKey of 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is PDWKJZLLZLEYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-15(2)26-22(29)16-5-7-18(8-6-16)27-20-13-21(25-14-19(20)24)28-11-9-17(10-12-28)23(3,4)30/h13-18,30H,5-12,24H2,1-4H3,(H,25,27)(H,26,29).
What are the key properties of 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 417.60 g/mol, XLogP of 3.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66728446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).