6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H22N8O2 — CID 58548381

IUPAC6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CC1
InChIInChI=1S/C22H22N8O2/c1-30(15-6-7-15)22(32)18-16(3-2-8-25-18)29-21(31)19-20(27-14-9-23-12-24-10-14)26-11-17(28-19)13-4-5-13/h2-3,8-13,15H,4-7H2,1H3,(H,26,27)(H,29,31)
InChIKeyHKKVLJXECRJTGW-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.77
Rot. Bonds7

About 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548381) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548381
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CC1
InChIInChI=1S/C22H22N8O2/c1-30(15-6-7-15)22(32)18-16(3-2-8-25-18)29-21(31)19-20(27-14-9-23-12-24-10-14)26-11-17(28-19)13-4-5-13/h2-3,8-13,15H,4-7H2,1H3,(H,26,27)(H,29,31)
InChIKeyHKKVLJXECRJTGW-UHFFFAOYSA-N
XLogP2.77
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
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

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Related Compounds

CID 53328445
CID 53328445
CID 53328989
CID 53328989
CID 58548152
CID 58548152
CID 58548190
CID 58548190
CID 58548204
CID 58548204
CID 58548219
CID 58548219
CID 58548285
CID 58548285
CID 58548297
CID 58548297
CID 58548299
CID 58548299
CID 58548325
CID 58548325
CID 58548358
CID 58548358
CID 58548376
CID 58548376

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548381) is 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1)C1CC1.
What is the InChIKey of 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is HKKVLJXECRJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-30(15-6-7-15)22(32)18-16(3-2-8-25-18)29-21(31)19-20(27-14-9-23-12-24-10-14)26-11-17(28-19)13-4-5-13/h2-3,8-13,15H,4-7H2,1H3,(H,26,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[cyclopropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).