N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide

C14H18N4O — CID 115274634

IUPACN-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide
SMILESCN(C(=O)CCCc1cc[nH]c1)c1ccc(N)nc1
InChIInChI=1S/C14H18N4O/c1-18(12-5-6-13(15)17-10-12)14(19)4-2-3-11-7-8-16-9-11/h5-10,16H,2-4H2,1H3,(H2,15,17)
InChIKeyUDHXLYKVZMXYJA-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.98
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide

N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide (PubChem CID 115274634) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide
PubChem CID115274634
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC NameN-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide
SMILESCN(C(=O)CCCc1cc[nH]c1)c1ccc(N)nc1
InChIInChI=1S/C14H18N4O/c1-18(12-5-6-13(15)17-10-12)14(19)4-2-3-11-7-8-16-9-11/h5-10,16H,2-4H2,1H3,(H2,15,17)
InChIKeyUDHXLYKVZMXYJA-UHFFFAOYSA-N
XLogP1.98
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400
N-(6-amino-3-pyridinyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 115274616
N-(6-amino-3-pyridinyl)-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 115274591
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
CID 115268442
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
CID 115268417
4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157553
N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide
CID 115272356
N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
CID 116846512
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide (CID 115274634) is N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide is CN(C(=O)CCCc1cc[nH]c1)c1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
The InChIKey is UDHXLYKVZMXYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(12-5-6-13(15)17-10-12)14(19)4-2-3-11-7-8-16-9-11/h5-10,16H,2-4H2,1H3,(H2,15,17).
What are the key properties of N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide has a molecular weight of 258.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 115274634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).