2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide

C22H23N7O — CID 138525697

IUPAC2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N(C)C)nc3c2)n1
InChIInChI=1S/C22H23N7O/c1-14(2)29-13-23-27-21(29)17-6-5-7-19(24-17)26-22(30)16-9-8-15-10-11-20(28(3)4)25-18(15)12-16/h5-14H,1-4H3,(H,24,26,30)
InChIKeyXMQDNUGEQOJRTP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.79
Rot. Bonds5

About 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide

2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (PubChem CID 138525697) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
PubChem CID138525697
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N(C)C)nc3c2)n1
InChIInChI=1S/C22H23N7O/c1-14(2)29-13-23-27-21(29)17-6-5-7-19(24-17)26-22(30)16-9-8-15-10-11-20(28(3)4)25-18(15)12-16/h5-14H,1-4H3,(H,24,26,30)
InChIKeyXMQDNUGEQOJRTP-UHFFFAOYSA-N
XLogP3.79
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (CID 138525697) is 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N(C)C)nc3c2)n1.
What is the InChIKey of 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The InChIKey is XMQDNUGEQOJRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14(2)29-13-23-27-21(29)17-6-5-7-19(24-17)26-22(30)16-9-8-15-10-11-20(28(3)4)25-18(15)12-16/h5-14H,1-4H3,(H,24,26,30).
What are the key properties of 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 138525697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).