N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide

C12H20N4O — CID 82949883

IUPACN-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C12H20N4O/c1-9(8-16(3)4)15-12(17)10-7-14-6-5-11(10)13-2/h5-7,9H,8H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyQRENCCFSBLUNON-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide

N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 82949883) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID82949883
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C12H20N4O/c1-9(8-16(3)4)15-12(17)10-7-14-6-5-11(10)13-2/h5-7,9H,8H2,1-4H3,(H,13,14)(H,15,17)
InChIKeyQRENCCFSBLUNON-UHFFFAOYSA-N
XLogP0.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 81239916
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
N-[1-(dimethylamino)propan-2-yl]-3-hydrazinylpyridine-4-carboxamide
CID 105072402
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)pyridine-4-carboxamide
CID 105070967
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291
4-(methylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 81236792
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
N-methyl-4-(methylamino)-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81236054

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide (CID 82949883) is N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is QRENCCFSBLUNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(8-16(3)4)15-12(17)10-7-14-6-5-11(10)13-2/h5-7,9H,8H2,1-4H3,(H,13,14)(H,15,17).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82949883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).