N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide

C13H22N4O — CID 81239916

IUPACN-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)CCN(C)C
InChIInChI=1S/C13H22N4O/c1-10(6-8-17(3)4)16-13(18)11-9-15-7-5-12(11)14-2/h5,7,9-10H,6,8H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyPXVXDKWEAAPOGI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.19
Rot. Bonds6

About N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide

N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81239916) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID81239916
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)CCN(C)C
InChIInChI=1S/C13H22N4O/c1-10(6-8-17(3)4)16-13(18)11-9-15-7-5-12(11)14-2/h5,7,9-10H,6,8H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyPXVXDKWEAAPOGI-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide
CID 114035854
4-(methylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 81236792
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
CID 62247539
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
N-[1-(dimethylamino)propan-2-yl]-3-hydrazinylpyridine-4-carboxamide
CID 105072402
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide (CID 81239916) is N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NC(C)CCN(C)C.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is PXVXDKWEAAPOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(6-8-17(3)4)16-13(18)11-9-15-7-5-12(11)14-2/h5,7,9-10H,6,8H2,1-4H3,(H,14,15)(H,16,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81239916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).