N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide

C13H22N4O — CID 62838640

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-5-14-10(2)8-13(18)16-11-6-7-12(15-9-11)17(3)4/h6-7,9-10,14H,5,8H2,1-4H3,(H,16,18)
InChIKeyYXOLDGNVCCDEPC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.47
Rot. Bonds6

About N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide

N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide (PubChem CID 62838640) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
PubChem CID62838640
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-5-14-10(2)8-13(18)16-11-6-7-12(15-9-11)17(3)4/h6-7,9-10,14H,5,8H2,1-4H3,(H,16,18)
InChIKeyYXOLDGNVCCDEPC-UHFFFAOYSA-N
XLogP1.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 94017927
2-amino-N-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]acetamide
CID 54928218
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide (CID 62838640) is N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide?
The InChIKey is YXOLDGNVCCDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-14-10(2)8-13(18)16-11-6-7-12(15-9-11)17(3)4/h6-7,9-10,14H,5,8H2,1-4H3,(H,16,18).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62838640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).