N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide

C17H29N5O2 — CID 143077534

IUPACN-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCO)cc(NCCN2CCCC2)n1
InChIInChI=1S/C17H29N5O2/c1-2-5-18-15-12-14(17(24)20-7-11-23)13-16(21-15)19-6-10-22-8-3-4-9-22/h12-13,23H,2-11H2,1H3,(H,20,24)(H2,18,19,21)
InChIKeyJPUJVCTWANBAQI-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.13
Rot. Bonds10

About N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide

N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide (PubChem CID 143077534) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
PubChem CID143077534
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCO)cc(NCCN2CCCC2)n1
InChIInChI=1S/C17H29N5O2/c1-2-5-18-15-12-14(17(24)20-7-11-23)13-16(21-15)19-6-10-22-8-3-4-9-22/h12-13,23H,2-11H2,1H3,(H,20,24)(H2,18,19,21)
InChIKeyJPUJVCTWANBAQI-UHFFFAOYSA-N
XLogP1.13
TPSA89.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene
CID 143077524
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene
CID 143077447
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 143077429
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide (CID 143077534) is N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCO)cc(NCCN2CCCC2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide?
The InChIKey is JPUJVCTWANBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-2-5-18-15-12-14(17(24)20-7-11-23)13-16(21-15)19-6-10-22-8-3-4-9-22/h12-13,23H,2-11H2,1H3,(H,20,24)(H2,18,19,21).
What are the key properties of N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide?
N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.13, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 143077534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).