2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide

C24H35N7O2 — CID 150604500

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C2CCCCC2)c1=O
InChIInChI=1S/C24H35N7O2/c1-15(2)31-14-18(11-19(23(31)33)16-7-4-3-5-8-16)28-22-20(21(26)32)12-27-24(29-22)30-10-6-9-17(25)13-30/h11-12,14-17H,3-10,13,25H2,1-2H3,(H2,26,32)(H,27,28,29)/t17-/m0/s1
InChIKeyISOUXGBJSNFWIO-KRWDZBQOSA-N
MW453.59 g/mol
LogP3.04
Rot. Bonds6

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide (PubChem CID 150604500) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
PubChem CID150604500
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C2CCCCC2)c1=O
InChIInChI=1S/C24H35N7O2/c1-15(2)31-14-18(11-19(23(31)33)16-7-4-3-5-8-16)28-22-20(21(26)32)12-27-24(29-22)30-10-6-9-17(25)13-30/h11-12,14-17H,3-10,13,25H2,1-2H3,(H2,26,32)(H,27,28,29)/t17-/m0/s1
InChIKeyISOUXGBJSNFWIO-KRWDZBQOSA-N
XLogP3.04
TPSA132.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide (CID 150604500) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide is CC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C2CCCCC2)c1=O.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The InChIKey is ISOUXGBJSNFWIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H35N7O2/c1-15(2)31-14-18(11-19(23(31)33)16-7-4-3-5-8-16)28-22-20(21(26)32)12-27-24(29-22)30-10-6-9-17(25)13-30/h11-12,14-17H,3-10,13,25H2,1-2H3,(H2,26,32)(H,27,28,29)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-cyclohexyl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 150604500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).