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

C22H21N7O2 — CID 54760568

IUPAC6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H21N7O2/c30-21(27-14-3-4-14)16-7-8-23-11-19(16)29-22(31)20-18(26-15-9-24-12-25-10-15)6-5-17(28-20)13-1-2-13/h5-14,26H,1-4H2,(H,27,30)(H,29,31)
InChIKeyWOQCEFBCSMQWNL-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.03
Rot. Bonds7

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

6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760568) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760568
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H21N7O2/c30-21(27-14-3-4-14)16-7-8-23-11-19(16)29-22(31)20-18(26-15-9-24-12-25-10-15)6-5-17(28-20)13-1-2-13/h5-14,26H,1-4H2,(H,27,30)(H,29,31)
InChIKeyWOQCEFBCSMQWNL-UHFFFAOYSA-N
XLogP3.03
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760568) is 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NC1CC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is WOQCEFBCSMQWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-21(27-14-3-4-14)16-7-8-23-11-19(16)29-22(31)20-18(26-15-9-24-12-25-10-15)6-5-17(28-20)13-1-2-13/h5-14,26H,1-4H2,(H,27,30)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(cyclopropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).