N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide

C14H18N4O — CID 115274733

IUPACN-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide
SMILESCNc1ccc(NC(=O)CCCc2cc[nH]c2)cn1
InChIInChI=1S/C14H18N4O/c1-15-13-6-5-12(10-17-13)18-14(19)4-2-3-11-7-8-16-9-11/h5-10,16H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyLIMIXVNTWDFTBU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds6

About N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide

N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide (PubChem CID 115274733) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound NameN-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide
PubChem CID115274733
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide
SMILESCNc1ccc(NC(=O)CCCc2cc[nH]c2)cn1
InChIInChI=1S/C14H18N4O/c1-15-13-6-5-12(10-17-13)18-14(19)4-2-3-11-7-8-16-9-11/h5-10,16H,2-4H2,1H3,(H,15,17)(H,18,19)
InChIKeyLIMIXVNTWDFTBU-UHFFFAOYSA-N
XLogP2.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
CID 116846512
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
[6-(methylamino)-3-pyridinyl]urea
CID 130725566
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
2-cyclohexyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274700
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide (CID 115274733) is N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide is CNc1ccc(NC(=O)CCCc2cc[nH]c2)cn1.
What is the InChIKey of N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide?
The InChIKey is LIMIXVNTWDFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-13-6-5-12(10-17-13)18-14(19)4-2-3-11-7-8-16-9-11/h5-10,16H,2-4H2,1H3,(H,15,17)(H,18,19).
What are the key properties of N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide?
N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 115274733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).