6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide

C19H24ClN7O3 — CID 145103464

IUPAC6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(Cl)n1
InChIInChI=1S/C19H24ClN7O3/c1-10(9-28)23-18(30)14-8-15(26-19(20)25-14)27-6-4-11(5-7-27)13-3-2-12(21)16(24-13)17(22)29/h2-3,8,10-11,28H,4-7,9,21H2,1H3,(H2,22,29)(H,23,30)
InChIKeyICEFRXJJHWQZPQ-UHFFFAOYSA-N
MW433.90 g/mol
LogP0.70
Rot. Bonds6

About 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide (PubChem CID 145103464) has the molecular formula C19H24ClN7O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
PubChem CID145103464
Molecular FormulaC19H24ClN7O3
Molecular Weight433.90 g/mol
Exact Mass433.16
IUPAC Name6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(Cl)n1
InChIInChI=1S/C19H24ClN7O3/c1-10(9-28)23-18(30)14-8-15(26-19(20)25-14)27-6-4-11(5-7-27)13-3-2-12(21)16(24-13)17(22)29/h2-3,8,10-11,28H,4-7,9,21H2,1H3,(H2,22,29)(H,23,30)
InChIKeyICEFRXJJHWQZPQ-UHFFFAOYSA-N
XLogP0.70
TPSA160.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide (CID 145103464) is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide is CC(CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(Cl)n1.
What is the InChIKey of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is ICEFRXJJHWQZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O3/c1-10(9-28)23-18(30)14-8-15(26-19(20)25-14)27-6-4-11(5-7-27)13-3-2-12(21)16(24-13)17(22)29/h2-3,8,10-11,28H,4-7,9,21H2,1H3,(H2,22,29)(H,23,30).
What are the key properties of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 145103464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).