N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide

C24H31N5O2 — CID 153321109

IUPACN-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCC[C@@H](c3ccccc3)C2)n1
InChIInChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30)/t20-/m1/s1
InChIKeyGBKQFYVKMQQNCN-HXUWFJFHSA-N
MW421.55 g/mol
LogP2.84
Rot. Bonds6

About N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 153321109) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID153321109
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCC[C@@H](c3ccccc3)C2)n1
InChIInChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30)/t20-/m1/s1
InChIKeyGBKQFYVKMQQNCN-HXUWFJFHSA-N
XLogP2.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide (CID 153321109) is N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCC[C@@H](c3ccccc3)C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is GBKQFYVKMQQNCN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30)/t20-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 153321109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).