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

C24H34N8O3 — CID 151354988

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C24H34N8O3/c1-15(2)32-14-17(11-18(23(32)35)22(34)30-8-4-3-5-9-30)28-21-19(20(26)33)12-27-24(29-21)31-10-6-7-16(25)13-31/h11-12,14-16H,3-10,13,25H2,1-2H3,(H2,26,33)(H,27,28,29)/t16-/m0/s1
InChIKeyONHGLWNKDPZGGP-INIZCTEOSA-N
MW482.59 g/mol
LogP1.62
Rot. Bonds6

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

2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 151354988) has the molecular formula C24H34N8O3 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide
PubChem CID151354988
Molecular FormulaC24H34N8O3
Molecular Weight482.59 g/mol
Exact Mass482.28
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C24H34N8O3/c1-15(2)32-14-17(11-18(23(32)35)22(34)30-8-4-3-5-9-30)28-21-19(20(26)33)12-27-24(29-21)31-10-6-7-16(25)13-31/h11-12,14-16H,3-10,13,25H2,1-2H3,(H2,26,33)(H,27,28,29)/t16-/m0/s1
InChIKeyONHGLWNKDPZGGP-INIZCTEOSA-N
XLogP1.62
TPSA152.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide (CID 151354988) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide is CC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(=O)N2CCCCC2)c1=O.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide?
The InChIKey is ONHGLWNKDPZGGP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H34N8O3/c1-15(2)32-14-17(11-18(23(32)35)22(34)30-8-4-3-5-9-30)28-21-19(20(26)33)12-27-24(29-21)31-10-6-7-16(25)13-31/h11-12,14-16H,3-10,13,25H2,1-2H3,(H2,26,33)(H,27,28,29)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-5-(piperidine-1-carbonyl)-1-propan-2-yl-3-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 151354988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).