2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide

C16H20N6O — CID 51084887

IUPAC2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCCC1c1ccncc1
InChIInChI=1S/C16H20N6O/c23-16(21-11-10-20-15-18-6-2-7-19-15)22-12-1-3-14(22)13-4-8-17-9-5-13/h2,4-9,14H,1,3,10-12H2,(H,21,23)(H,18,19,20)
InChIKeyPVBDQOKJDFHIEH-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.83
Rot. Bonds5

About 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide

2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide (PubChem CID 51084887) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
PubChem CID51084887
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCCC1c1ccncc1
InChIInChI=1S/C16H20N6O/c23-16(21-11-10-20-15-18-6-2-7-19-15)22-12-1-3-14(22)13-4-8-17-9-5-13/h2,4-9,14H,1,3,10-12H2,(H,21,23)(H,18,19,20)
InChIKeyPVBDQOKJDFHIEH-UHFFFAOYSA-N
XLogP1.83
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87003227
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94041255
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
(2S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94058768
(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95133730
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87007306
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94824254
methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 124616958

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide (CID 51084887) is 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide is O=C(NCCNc1ncccn1)N1CCCC1c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is PVBDQOKJDFHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(21-11-10-20-15-18-6-2-7-19-15)22-12-1-3-14(22)13-4-8-17-9-5-13/h2,4-9,14H,1,3,10-12H2,(H,21,23)(H,18,19,20).
What are the key properties of 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51084887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).