4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C20H28N4O — CID 109207180

IUPAC4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccccc2C(C)(C)C)ccn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-8-6-7-9-17(16)23-15-10-11-21-18(14-15)19(25)22-12-13-24(4)5/h6-11,14H,12-13H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyAVOZLNMFVINFGP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.41
Rot. Bonds6

About 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 109207180) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID109207180
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccccc2C(C)(C)C)ccn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-8-6-7-9-17(16)23-15-10-11-21-18(14-15)19(25)22-12-13-24(4)5/h6-11,14H,12-13H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyAVOZLNMFVINFGP-UHFFFAOYSA-N
XLogP3.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220562
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207218
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (CID 109207180) is 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(Nc2ccccc2C(C)(C)C)ccn1.
What is the InChIKey of 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is AVOZLNMFVINFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)16-8-6-7-9-17(16)23-15-10-11-21-18(14-15)19(25)22-12-13-24(4)5/h6-11,14H,12-13H2,1-5H3,(H,21,23)(H,22,25).
What are the key properties of 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109207180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).