2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide

C22H23N5O4 — CID 71061213

IUPAC2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N(CCO)CCO)cc2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C22H23N5O4/c23-20-19(21(30)26-18-5-7-24-8-6-18)13-17(14-25-20)15-1-3-16(4-2-15)22(31)27(9-11-28)10-12-29/h1-8,13-14,28-29H,9-12H2,(H2,23,25)(H,24,26,30)
InChIKeyNHNOHNJHTZRPJD-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.40
Rot. Bonds8

About 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide

2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 71061213) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID71061213
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N(CCO)CCO)cc2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C22H23N5O4/c23-20-19(21(30)26-18-5-7-24-8-6-18)13-17(14-25-20)15-1-3-16(4-2-15)22(31)27(9-11-28)10-12-29/h1-8,13-14,28-29H,9-12H2,(H2,23,25)(H,24,26,30)
InChIKeyNHNOHNJHTZRPJD-UHFFFAOYSA-N
XLogP1.40
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
CID 71061208
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
CID 174791748
tert-butyl N-[4-[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl]-4-oxobutyl]carbamate
CID 159902780
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
CID 71060843
2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 123201906
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
2-amino-5-(1,5-dihydroimidazo[1,2-a]pyridin-2-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 71062414
2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061133
2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 71061140
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide (CID 71061213) is 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide is Nc1ncc(-c2ccc(C(=O)N(CCO)CCO)cc2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is NHNOHNJHTZRPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c23-20-19(21(30)26-18-5-7-24-8-6-18)13-17(14-25-20)15-1-3-16(4-2-15)22(31)27(9-11-28)10-12-29/h1-8,13-14,28-29H,9-12H2,(H2,23,25)(H,24,26,30).
What are the key properties of 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.40, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71061213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).