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

C22H29N5O — CID 150475040

IUPACN-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCC2CC2)nc(N2CCC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C22H29N5O/c1-26(2)20-13-19(21(28)23-14-16-10-11-16)24-22(25-20)27-12-6-9-18(15-27)17-7-4-3-5-8-17/h3-5,7-8,13,16,18H,6,9-12,14-15H2,1-2H3,(H,23,28)/t18-/m0/s1
InChIKeyHSPKWMWNXWGJTO-SFHVURJKSA-N
MW379.51 g/mol
LogP3.07
Rot. Bonds6

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

N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 150475040) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID150475040
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCC2CC2)nc(N2CCC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C22H29N5O/c1-26(2)20-13-19(21(28)23-14-16-10-11-16)24-22(25-20)27-12-6-9-18(15-27)17-7-4-3-5-8-17/h3-5,7-8,13,16,18H,6,9-12,14-15H2,1-2H3,(H,23,28)/t18-/m0/s1
InChIKeyHSPKWMWNXWGJTO-SFHVURJKSA-N
XLogP3.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide (CID 150475040) is N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide is CN(C)c1cc(C(=O)NCC2CC2)nc(N2CCC[C@H](c3ccccc3)C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is HSPKWMWNXWGJTO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26(2)20-13-19(21(28)23-14-16-10-11-16)24-22(25-20)27-12-6-9-18(15-27)17-7-4-3-5-8-17/h3-5,7-8,13,16,18H,6,9-12,14-15H2,1-2H3,(H,23,28)/t18-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 150475040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).