3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine

C23H24N4O — CID 145368639

IUPAC3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cnccc1NC[C@H]1CCCN1
InChIInChI=1S/C23H24N4O/c24-23(17-8-10-20(11-9-17)28-19-6-2-1-3-7-19)21-16-25-14-12-22(21)27-15-18-5-4-13-26-18/h1-3,6-12,14,16,18,24,26H,4-5,13,15H2,(H,25,27)/b24-23+/t18-/m1/s1
InChIKeyOZSRKWRJOPMPEO-IUBFCHALSA-N
MW372.47 g/mol
LogP4.45
Rot. Bonds7

About 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine

3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine (PubChem CID 145368639) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine
PubChem CID145368639
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cnccc1NC[C@H]1CCCN1
InChIInChI=1S/C23H24N4O/c24-23(17-8-10-20(11-9-17)28-19-6-2-1-3-7-19)21-16-25-14-12-22(21)27-15-18-5-4-13-26-18/h1-3,6-12,14,16,18,24,26H,4-5,13,15H2,(H,25,27)/b24-23+/t18-/m1/s1
InChIKeyOZSRKWRJOPMPEO-IUBFCHALSA-N
XLogP4.45
TPSA70.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
CID 166968934
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819
[3-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]-[[(2R)-1-prop-2-enoylpyrrolidin-2-yl]methyl]azanium
CID 145368575
1-[(2R)-2-[[5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]azetidin-1-yl]prop-2-en-1-one
CID 130426884
4-(4-methoxyphenoxy)-2-pyridin-3-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 51353554
4-(4-aminophenoxy)-2-pyridin-3-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 52938594
[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine
CID 102210990
1-[(3R)-3-[[3-fluoro-5-(4-phenoxybenzenecarboximidoyl)-4-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 130426938
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 52939968
N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
CID 115208111

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine?
The IUPAC name of 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine (CID 145368639) is 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine.
What is the SMILES notation for 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine?
The canonical SMILES for 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine is [H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1cnccc1NC[C@H]1CCCN1.
What is the InChIKey of 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine?
The InChIKey is OZSRKWRJOPMPEO-IUBFCHALSA-N. The full InChI is InChI=1S/C23H24N4O/c24-23(17-8-10-20(11-9-17)28-19-6-2-1-3-7-19)21-16-25-14-12-22(21)27-15-18-5-4-13-26-18/h1-3,6-12,14,16,18,24,26H,4-5,13,15H2,(H,25,27)/b24-23+/t18-/m1/s1.
What are the key properties of 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine?
3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxybenzenecarboximidoyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 145368639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).