N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H21N7O — CID 165415125

IUPACN-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H21N7O/c31-23(28-19-12-26-30(14-19)13-16-4-2-1-3-5-16)22-21(27-18-10-24-15-25-11-18)9-8-20(29-22)17-6-7-17/h1-5,8-12,14-15,17,27H,6-7,13H2,(H,28,31)
InChIKeySVCRDTBBDRHNGZ-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.99
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415125) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415125
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC NameN-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H21N7O/c31-23(28-19-12-26-30(14-19)13-16-4-2-1-3-5-16)22-21(27-18-10-24-15-25-11-18)9-8-20(29-22)17-6-7-17/h1-5,8-12,14-15,17,27H,6-7,13H2,(H,28,31)
InChIKeySVCRDTBBDRHNGZ-UHFFFAOYSA-N
XLogP3.99
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415125) is N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is SVCRDTBBDRHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-23(28-19-12-26-30(14-19)13-16-4-2-1-3-5-16)22-21(27-18-10-24-15-25-11-18)9-8-20(29-22)17-6-7-17/h1-5,8-12,14-15,17,27H,6-7,13H2,(H,28,31).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).