N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide

C16H18N4O — CID 139834352

IUPACN-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCN1CCCC1c1ccc(NC(=O)c2cccnc2)nc1
InChIInChI=1S/C16H18N4O/c1-20-9-3-5-14(20)12-6-7-15(18-11-12)19-16(21)13-4-2-8-17-10-13/h2,4,6-8,10-11,14H,3,5,9H2,1H3,(H,18,19,21)
InChIKeyYHWXXVKXRBDISG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.50
Rot. Bonds3

About N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide

N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 139834352) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID139834352
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCN1CCCC1c1ccc(NC(=O)c2cccnc2)nc1
InChIInChI=1S/C16H18N4O/c1-20-9-3-5-14(20)12-6-7-15(18-11-12)19-16(21)13-4-2-8-17-10-13/h2,4,6-8,10-11,14H,3,5,9H2,1H3,(H,18,19,21)
InChIKeyYHWXXVKXRBDISG-UHFFFAOYSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 159157477
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 139834352) is N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide is CN1CCCC1c1ccc(NC(=O)c2cccnc2)nc1.
What is the InChIKey of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YHWXXVKXRBDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-9-3-5-14(20)12-6-7-15(18-11-12)19-16(21)13-4-2-8-17-10-13/h2,4,6-8,10-11,14H,3,5,9H2,1H3,(H,18,19,21).
What are the key properties of N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 139834352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).