6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide

C22H22N8O2 — CID 58548310

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H22N8O2/c31-21(29-16-4-3-7-25-18(16)22(32)30-8-1-2-9-30)19-20(27-15-10-23-13-24-11-15)26-12-17(28-19)14-5-6-14/h3-4,7,10-14H,1-2,5-6,8-9H2,(H,26,27)(H,29,31)
InChIKeySPRIJEBROKJBJJ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.77
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 58548310) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID58548310
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H22N8O2/c31-21(29-16-4-3-7-25-18(16)22(32)30-8-1-2-9-30)19-20(27-15-10-23-13-24-11-15)26-12-17(28-19)14-5-6-14/h3-4,7,10-14H,1-2,5-6,8-9H2,(H,26,27)(H,29,31)
InChIKeySPRIJEBROKJBJJ-UHFFFAOYSA-N
XLogP2.77
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[4-(azetidine-1-carbonyl)pyrimidin-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548362
N-[5-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 58548168
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-N-[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759834
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548326
6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548369
N-(1-benzylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415240
[5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-2-methylpyrimidin-4-yl] N-methylcarbamate
CID 130443017
6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 123768844
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548341
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide
CID 165415174
6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548367

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 58548310) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide is O=C(Nc1cccnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is SPRIJEBROKJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c31-21(29-16-4-3-7-25-18(16)22(32)30-8-1-2-9-30)19-20(27-15-10-23-13-24-11-15)26-12-17(28-19)14-5-6-14/h3-4,7,10-14H,1-2,5-6,8-9H2,(H,26,27)(H,29,31).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 58548310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).