N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

C20H19N5O2S — CID 155565596

IUPACN-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESCc1csc(-c2cnc(N)c(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1
InChIInChI=1S/C20H19N5O2S/c1-11-6-16(28-10-11)14-7-15(18(21)23-9-14)24-20(27)13-4-5-22-17(8-13)25-19(26)12-2-3-12/h4-10,12H,2-3H2,1H3,(H2,21,23)(H,24,27)(H,22,25,26)
InChIKeyZLADHEWDKDHHIF-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.70
Rot. Bonds5

About N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 155565596) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID155565596
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESCc1csc(-c2cnc(N)c(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1
InChIInChI=1S/C20H19N5O2S/c1-11-6-16(28-10-11)14-7-15(18(21)23-9-14)24-20(27)13-4-5-22-17(8-13)25-19(26)12-2-3-12/h4-10,12H,2-3H2,1H3,(H2,21,23)(H,24,27)(H,22,25,26)
InChIKeyZLADHEWDKDHHIF-UHFFFAOYSA-N
XLogP3.70
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 155565596) is N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is Cc1csc(-c2cnc(N)c(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1.
What is the InChIKey of N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is ZLADHEWDKDHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-11-6-16(28-10-11)14-7-15(18(21)23-9-14)24-20(27)13-4-5-22-17(8-13)25-19(26)12-2-3-12/h4-10,12H,2-3H2,1H3,(H2,21,23)(H,24,27)(H,22,25,26).
What are the key properties of N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 155565596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).