2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide

C20H21N7O2 — CID 138997833

IUPAC2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccnc(-c2n[nH]c(C(C)NC(=O)c3ccnc(NC(=O)C4CC4)c3)n2)c1
InChIInChI=1S/C20H21N7O2/c1-11-5-7-21-15(9-11)18-25-17(26-27-18)12(2)23-20(29)14-6-8-22-16(10-14)24-19(28)13-3-4-13/h5-10,12-13H,3-4H2,1-2H3,(H,23,29)(H,22,24,28)(H,25,26,27)
InChIKeyHDLOBLSSXMDUFQ-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.41
Rot. Bonds6

About 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide (PubChem CID 138997833) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide
PubChem CID138997833
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide
SMILESCc1ccnc(-c2n[nH]c(C(C)NC(=O)c3ccnc(NC(=O)C4CC4)c3)n2)c1
InChIInChI=1S/C20H21N7O2/c1-11-5-7-21-15(9-11)18-25-17(26-27-18)12(2)23-20(29)14-6-8-22-16(10-14)24-19(28)13-3-4-13/h5-10,12-13H,3-4H2,1-2H3,(H,23,29)(H,22,24,28)(H,25,26,27)
InChIKeyHDLOBLSSXMDUFQ-UHFFFAOYSA-N
XLogP2.41
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide (CID 138997833) is 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide is Cc1ccnc(-c2n[nH]c(C(C)NC(=O)c3ccnc(NC(=O)C4CC4)c3)n2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is HDLOBLSSXMDUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-11-5-7-21-15(9-11)18-25-17(26-27-18)12(2)23-20(29)14-6-8-22-16(10-14)24-19(28)13-3-4-13/h5-10,12-13H,3-4H2,1-2H3,(H,23,29)(H,22,24,28)(H,25,26,27).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 138997833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).