4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide

C21H23N5O2 — CID 125014600

IUPAC4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
SMILESNCc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc4ccncc34)C2)cc1
InChIInChI=1S/C21H23N5O2/c22-11-15-1-3-16(4-2-15)20(27)25-13-21(28)7-10-26(14-21)19-6-9-24-18-5-8-23-12-17(18)19/h1-6,8-9,12,28H,7,10-11,13-14,22H2,(H,25,27)/t21-/m1/s1
InChIKeyWNRAECTZLKWDTR-OAQYLSRUSA-N
MW377.45 g/mol
LogP1.46
Rot. Bonds5

About 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide

4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 125014600) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID125014600
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
SMILESNCc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc4ccncc34)C2)cc1
InChIInChI=1S/C21H23N5O2/c22-11-15-1-3-16(4-2-15)20(27)25-13-21(28)7-10-26(14-21)19-6-9-24-18-5-8-23-12-17(18)19/h1-6,8-9,12,28H,7,10-11,13-14,22H2,(H,25,27)/t21-/m1/s1
InChIKeyWNRAECTZLKWDTR-OAQYLSRUSA-N
XLogP1.46
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide (CID 125014600) is 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide is NCc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc4ccncc34)C2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is WNRAECTZLKWDTR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-11-15-1-3-16(4-2-15)20(27)25-13-21(28)7-10-26(14-21)19-6-9-24-18-5-8-23-12-17(18)19/h1-6,8-9,12,28H,7,10-11,13-14,22H2,(H,25,27)/t21-/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide?
4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 125014600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).