N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide

C16H26N4O — CID 81238615

IUPACN-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCC1CCCCN1C
InChIInChI=1S/C16H26N4O/c1-3-8-18-15-7-9-17-12-14(15)16(21)19-11-13-6-4-5-10-20(13)2/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyRPJQEWHUCHQILY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds6

About N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide

N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81238615) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID81238615
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCC1CCCCN1C
InChIInChI=1S/C16H26N4O/c1-3-8-18-15-7-9-17-12-14(15)16(21)19-11-13-6-4-5-10-20(13)2/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyRPJQEWHUCHQILY-UHFFFAOYSA-N
XLogP2.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (CID 81238615) is N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCC1CCCCN1C.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is RPJQEWHUCHQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-18-15-7-9-17-12-14(15)16(21)19-11-13-6-4-5-10-20(13)2/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).