N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide

C19H21N7O2 — CID 121271949

IUPACN-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cnc(-c2cnc(C#N)c(NCC(=O)N(C)C)c2)cn1
InChIInChI=1S/C19H21N7O2/c1-11-4-13(11)19(28)25-17-9-22-16(8-24-17)12-5-14(15(6-20)21-7-12)23-10-18(27)26(2)3/h5,7-9,11,13,23H,4,10H2,1-3H3,(H,24,25,28)
InChIKeyZVSDHOJLYDMVPH-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.50
Rot. Bonds6

About N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide

N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 121271949) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID121271949
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cnc(-c2cnc(C#N)c(NCC(=O)N(C)C)c2)cn1
InChIInChI=1S/C19H21N7O2/c1-11-4-13(11)19(28)25-17-9-22-16(8-24-17)12-5-14(15(6-20)21-7-12)23-10-18(27)26(2)3/h5,7-9,11,13,23H,4,10H2,1-3H3,(H,24,25,28)
InChIKeyZVSDHOJLYDMVPH-UHFFFAOYSA-N
XLogP1.50
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide (CID 121271949) is N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cnc(-c2cnc(C#N)c(NCC(=O)N(C)C)c2)cn1.
What is the InChIKey of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZVSDHOJLYDMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11-4-13(11)19(28)25-17-9-22-16(8-24-17)12-5-14(15(6-20)21-7-12)23-10-18(27)26(2)3/h5,7-9,11,13,23H,4,10H2,1-3H3,(H,24,25,28).
What are the key properties of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide?
N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 121271949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).