2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide

C22H23N5O2 — CID 137353022

IUPAC2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ccc(NC(=O)CCNCCc3ccccc3)cn2)c1
InChIInChI=1S/C22H23N5O2/c23-22(29)17-9-13-25-20(14-17)19-7-6-18(15-26-19)27-21(28)10-12-24-11-8-16-4-2-1-3-5-16/h1-7,9,13-15,24H,8,10-12H2,(H2,23,29)(H,27,28)
InChIKeyXFWMSVPXCNZXDV-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.40
Rot. Bonds9

About 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide

2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 137353022) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID137353022
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ccc(NC(=O)CCNCCc3ccccc3)cn2)c1
InChIInChI=1S/C22H23N5O2/c23-22(29)17-9-13-25-20(14-17)19-7-6-18(15-26-19)27-21(28)10-12-24-11-8-16-4-2-1-3-5-16/h1-7,9,13-15,24H,8,10-12H2,(H2,23,29)(H,27,28)
InChIKeyXFWMSVPXCNZXDV-UHFFFAOYSA-N
XLogP2.40
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
3-[5-[3-(4-tert-butylphenyl)propanoylamino]-2-pyridinyl]benzamide
CID 11852066
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
4-(3-phenylpropanoylamino)benzamide
CID 675903
2-[5-(piperidine-4-carbonylamino)-2-pyridinyl]pyridine-4-carboxamide
CID 137352117
4-[[6-(4-carbamoyl-2-pyridinyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 137352642
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
CID 169281528
[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
CID 71015587
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide (CID 137353022) is 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide is NC(=O)c1ccnc(-c2ccc(NC(=O)CCNCCc3ccccc3)cn2)c1.
What is the InChIKey of 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is XFWMSVPXCNZXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-22(29)17-9-13-25-20(14-17)19-7-6-18(15-26-19)27-21(28)10-12-24-11-8-16-4-2-1-3-5-16/h1-7,9,13-15,24H,8,10-12H2,(H2,23,29)(H,27,28).
What are the key properties of 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide?
2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-phenylethylamino)propanoylamino]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 137353022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).