N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C24H25N7O2 — CID 54760758

IUPACN-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H25N7O2/c32-23(29-16-3-1-2-4-16)18-9-10-25-13-21(18)31-24(33)22-20(28-17-11-26-14-27-12-17)8-7-19(30-22)15-5-6-15/h7-16,28H,1-6H2,(H,29,32)(H,31,33)
InChIKeyYRBBKLUCNNADSQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760758) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760758
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H25N7O2/c32-23(29-16-3-1-2-4-16)18-9-10-25-13-21(18)31-24(33)22-20(28-17-11-26-14-27-12-17)8-7-19(30-22)15-5-6-15/h7-16,28H,1-6H2,(H,29,32)(H,31,33)
InChIKeyYRBBKLUCNNADSQ-UHFFFAOYSA-N
XLogP3.81
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760758) is N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YRBBKLUCNNADSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c32-23(29-16-3-1-2-4-16)18-9-10-25-13-21(18)31-24(33)22-20(28-17-11-26-14-27-12-17)8-7-19(30-22)15-5-6-15/h7-16,28H,1-6H2,(H,29,32)(H,31,33).
What are the key properties of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).