2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile

C17H17FN4 — CID 125142211

IUPAC2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)22-8-6-14(12-22)11-21-17-9-13(10-19)5-7-20-17/h1-5,7,9,14H,6,8,11-12H2,(H,20,21)/t14-/m1/s1
InChIKeyKRBVNDJREUIMEA-CQSZACIVSA-N
MW296.35 g/mol
LogP3.03
Rot. Bonds4

About 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile

2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile (PubChem CID 125142211) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
PubChem CID125142211
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)22-8-6-14(12-22)11-21-17-9-13(10-19)5-7-20-17/h1-5,7,9,14H,6,8,11-12H2,(H,20,21)/t14-/m1/s1
InChIKeyKRBVNDJREUIMEA-CQSZACIVSA-N
XLogP3.03
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142212
2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 125142174
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine
CID 125437374
4-(4-fluorophenoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 56574268
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773
2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133299085
5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
CID 133291105
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-nitropyrimidin-2-amine
CID 75455214
5-chloro-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 133286080
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136667097

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile (CID 125142211) is 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
The InChIKey is KRBVNDJREUIMEA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)22-8-6-14(12-22)11-21-17-9-13(10-19)5-7-20-17/h1-5,7,9,14H,6,8,11-12H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 125142211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).