N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide

C16H20N6O2 — CID 50955413

IUPACN-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNc1nccc(N2CCC(O)C2)n1)c1ccncc1
InChIInChI=1S/C16H20N6O2/c23-13-4-10-22(11-13)14-3-7-19-16(21-14)20-9-8-18-15(24)12-1-5-17-6-2-12/h1-3,5-7,13,23H,4,8-11H2,(H,18,24)(H,19,20,21)
InChIKeyLDVZYIPSJQETLW-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.28
Rot. Bonds6

About N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide

N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 50955413) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
PubChem CID50955413
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNc1nccc(N2CCC(O)C2)n1)c1ccncc1
InChIInChI=1S/C16H20N6O2/c23-13-4-10-22(11-13)14-3-7-19-16(21-14)20-9-8-18-15(24)12-1-5-17-6-2-12/h1-3,5-7,13,23H,4,8-11H2,(H,18,24)(H,19,20,21)
InChIKeyLDVZYIPSJQETLW-UHFFFAOYSA-N
XLogP0.28
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 95123015
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926
1-[2-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50985155
1-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134698382
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50955735

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide (CID 50955413) is N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide is O=C(NCCNc1nccc(N2CCC(O)C2)n1)c1ccncc1.
What is the InChIKey of N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is LDVZYIPSJQETLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-13-4-10-22(11-13)14-3-7-19-16(21-14)20-9-8-18-15(24)12-1-5-17-6-2-12/h1-3,5-7,13,23H,4,8-11H2,(H,18,24)(H,19,20,21).
What are the key properties of N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide?
N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 50955413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).